SCHEMBL4181748

SCHEMBL4181748

C[C@H](CO)COC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4181754 1.00 MAPK1 (0.56) MAPK1TSHRTDP1
SCHEMBL4189322 1.00 MAPK1 (0.56) MAPK1TSHRTDP1
SCHEMBL12858723 0.83 MAPK1 (0.60) MAPK1
SCHEMBL13905994 0.82 MAPK1 (0.37) MAPK1TSHRTDP1
SCHEMBL11402881 0.80 MAPK1 (0.36) MAPK1TSHR
SCHEMBL8888351 0.78 MAPK1 (0.34) MAPK1TSHR
SCHEMBL11403500 0.78 TSHR (0.37) MAPK1TSHRTDP1
Propylene Glycol SCHEMBL28059743 0.77 MAPK1 (0.85) MAPK1TSHRTDP1
SCHEMBL24906146 0.77 MAPK1 (0.48) MAPK1
SCHEMBL12285564 0.76 MAPK1 (0.52) MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783578-B2 Immunosuppression modulating compounds AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-10-10 US disclosed
US-9096642-B2 Therapeutic compounds for immunomodulation AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-08-04 US disclosed
US-9044442-B2 Peptidomimetic compounds as immunomodulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-02 US disclosed
US-20150087581-A1 Immunosuppression Modulating Compounds AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-03-26 US disclosed
US-8907053-B2 Immunosuppression modulating compounds AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-12-09 US disclosed
US-20140248263-A1 BISPHENOL COMPOUNDS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-09-04 US disclosed
US-20140199334-A1 Therapeutic Compounds for Immunomodulation AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-17 US disclosed
US-20130237580-A1 PEPTIDOMIMETIC COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2013-09-12 US disclosed
US-20110318373-A1 IMMUNOSUPPRESSION MODULATING COMPOUNDS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2011-12-29 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
EP-1124804-B1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LAB (US) 2005-08-24 EP disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
US-4169209-A Ethers of 2,6-dimethyl-octane-1,8-diols HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US disclosed
US-4107183-A Synthesis of optically active carboxylic acid esters HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110318373-A1 IMMUNOSUPPRESSION MODULATING COMPOUNDS CD274, PDCD1, PDCD1LG2 MAPK1 74/4885TSHR 3312/4885TDP1 2920/4885
US-20130237580-A1 PEPTIDOMIMETIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 MAPK1 79/4885TSHR 1597/4885TDP1 2574/4885
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 MAPK1 1120/4885TSHR 4232/4885TDP1 3644/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 MAPK1 1080/4885TSHR 4179/4885TDP1 3633/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 MAPK1 1080/4885TSHR 4179/4885TDP1 3633/4885
US-20140248263-A1 BISPHENOL COMPOUNDS AND METHODS FOR THEIR USE AR, SHBG, ESRRA MAPK1 4052/4885TSHR 819/4885TDP1 1847/4885
US-20140199334-A1 Therapeutic Compounds for Immunomodulation CD274, PDCD1, PDCD1LG2 MAPK1 68/4885TSHR 2908/4885TDP1 3042/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 MAPK1 1080/4885TSHR 4179/4885TDP1 3633/4885
US-20150087581-A1 Immunosuppression Modulating Compounds CD274, PDCD1, PDCD1LG2 MAPK1 83/4885TSHR 3500/4885TDP1 2891/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.